SCHEMBL13325751

SCHEMBL13325751

CCc1ccc(-c2cn3ccc(C)cc3n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NPC1 O15118 7/20 0.69
RAB9A P51151 6/20 0.69
KDM4E B2RXH2 6/20 0.69
PKM P14618 2/20 0.66
KMT2A Q03164 2/20 0.60
GAA P10253 2/20 0.60
POLB P06746 1/20 0.60
GFER P55789 1/20 0.60
HRH3 Q9Y5N1 7/20 0.60
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.54
KLF5 Q13887 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13325910 0.89 SMN1; SMN2 (0.93) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12970576 0.87 SMN1; SMN2 (0.73) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13325778 0.87 SMN1; SMN2 (0.55) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1691995 0.86 SMN1; SMN2 (1.00) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11823772 0.82 SMN1; SMN2 (0.66) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4727102 0.82 SMN1; SMN2 (0.79) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4727165 0.82 SMN1; SMN2 (0.79) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL13325899 0.82 SMN1; SMN2 (0.79) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL10648324 0.82 SMN1; SMN2 (0.79) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL972809 0.82 NPC1 (1.00) TP53SMN1; SMN2NPC1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed